The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study
Semiquantitative relationships between the localization of a π-electron system and its capacity to contribute to the spin-spin coupling constants are found theoretically and experimentally. Theoretically, enlargements of the INDO basis set and the tautomeric structures of 2-hydroxypyridine are used....
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v94_n1-2_p163_Facelli |
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todo:paper_01661280_v94_n1-2_p163_Facelli2023-10-03T15:03:33Z The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study Facelli, J.C. Contreras, R.H. de Kowalewski, D.G. Kowalewski, V.J. Piegala, R.N. Semiquantitative relationships between the localization of a π-electron system and its capacity to contribute to the spin-spin coupling constants are found theoretically and experimentally. Theoretically, enlargements of the INDO basis set and the tautomeric structures of 2-hydroxypyridine are used. Experimentally, the long-range HH coupling constants in 6-methyl-2-pyridone are compared with the corresponding couplings in 2-X-6-methylpyridines (X = amino, formyl, cyano). Evidence shows that the π-contribution to the HH coupling constants is greater when the localization of this electron system is increased. © 1983. Fil:Facelli, J.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Contreras, R.H. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Kowalewski, V.J. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_01661280_v94_n1-2_p163_Facelli |
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Universidad de Buenos Aires |
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I-28 |
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R-134 |
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
Semiquantitative relationships between the localization of a π-electron system and its capacity to contribute to the spin-spin coupling constants are found theoretically and experimentally. Theoretically, enlargements of the INDO basis set and the tautomeric structures of 2-hydroxypyridine are used. Experimentally, the long-range HH coupling constants in 6-methyl-2-pyridone are compared with the corresponding couplings in 2-X-6-methylpyridines (X = amino, formyl, cyano). Evidence shows that the π-contribution to the HH coupling constants is greater when the localization of this electron system is increased. © 1983. |
| format |
JOUR |
| author |
Facelli, J.C. Contreras, R.H. de Kowalewski, D.G. Kowalewski, V.J. Piegala, R.N. |
| spellingShingle |
Facelli, J.C. Contreras, R.H. de Kowalewski, D.G. Kowalewski, V.J. Piegala, R.N. The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study |
| author_facet |
Facelli, J.C. Contreras, R.H. de Kowalewski, D.G. Kowalewski, V.J. Piegala, R.N. |
| author_sort |
Facelli, J.C. |
| title |
The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study |
| title_short |
The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study |
| title_full |
The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study |
| title_fullStr |
The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study |
| title_full_unstemmed |
The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study |
| title_sort |
importance of the localization of the π-electron system on its ability to transmit the fermi contact term of hh coupling constants. a theoretical and experimental study |
| url |
http://hdl.handle.net/20.500.12110/paper_01661280_v94_n1-2_p163_Facelli |
| work_keys_str_mv |
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